Mol:FL3FAIGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0989 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0989 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7054 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -2.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -3.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8026 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 0.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0375 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8835 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7699 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 -0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7579 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5272 -0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0173 -1.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9733 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5272 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3821 1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8142 3.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
14 30 1 0 0 0 0
32 33 1 0 0 0 0
16 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -1.3460 0.7771
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 -0.2614 -0.9033
S SKP 5
ID FL3FAIGS0001
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c3)(c(c(cc3OC(C(O)4)OCC(C(O)4)O)O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O
M END
